Bicarbonate Ion → 2-Benzyl-1-(2-chlorobenzyl)-5-ethoxycarbonylbenzimidazole

HRID 2156639Notes

Reaction equation

HRID 2156639 reaction equation
[C:15](=[O:16])([OH:17])[O-:18].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[nH:28][c:29]2[c:30]([n:31]1)[cH:32][cH:33][c:34]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:35]2.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:6][c:7]1[c:8]([CH2:9][Br:10])[cH:11][cH:12][cH:13][cH:14]1.[Na+:19].[OH2:41]>>[Cl:6][c:7]1[c:8]([CH2:9][n:31]2[c:27]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:28][c:29]3[c:30]2[cH:32][cH:33][c:34]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:35]3)[cH:11][cH:12][cH:13][cH:14]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11905alpha-Bromo-o-chlorotolueneHCID 102213332-Benzyl-5-ethoxycarbonylbenzimidazole

Product 1

HCID 186811502-Benzyl-1-(2-chlorobenzyl)-5-ethoxycarbonylbenzimidazole

Sources & evidence

ORD record
ord-e6deebee072c4a9ab46c3bae0a5bca76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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